5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide

C12H19N3O3S2 — CID 124589177

IUPAC5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S2/c1-7-5-15(6-8(2)14-7)12(16)10-4-11(9(3)19-10)20(13,17)18/h4,7-8,14H,5-6H2,1-3H3,(H2,13,17,18)/t7-,8+
InChIKeyVVUUMIVLDCSKKV-OCAPTIKFSA-N
MW317.44 g/mol
LogP0.53
Rot. Bonds2

About 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide

5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide (PubChem CID 124589177) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide
PubChem CID124589177
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S2/c1-7-5-15(6-8(2)14-7)12(16)10-4-11(9(3)19-10)20(13,17)18/h4,7-8,14H,5-6H2,1-3H3,(H2,13,17,18)/t7-,8+
InChIKeyVVUUMIVLDCSKKV-OCAPTIKFSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
CID 154750761
5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115612442
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115888736
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
(3,5-dimethylcyclohexyl) 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115994151
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
CID 124590095
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 122147908
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
CID 115612472

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide (CID 124589177) is 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide is Cc1sc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is VVUUMIVLDCSKKV-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-7-5-15(6-8(2)14-7)12(16)10-4-11(9(3)19-10)20(13,17)18/h4,7-8,14H,5-6H2,1-3H3,(H2,13,17,18)/t7-,8+.
What are the key properties of 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 124589177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).